xenial (1) obrotamer.1.gz

Provided by: openbabel_2.3.2+dfsg-2.2build1_amd64 bug

NAME
     obrotamer — generate conformer/rotamer coordinates


SYNOPSIS
     obrotamer filename


DESCRIPTION
     The obrotamer tool can be used as part of a conformational search by generating random isomers based on
     rotating dihedral angles. These rotamers are not conformers -- that is, obrotamer does not perform geometry
     optimization after generating the rotamer structure. The obminimize tool can do geometry optimization using
     molecular mechanics.


EXAMPLES
           obrotamer baseconformer.sdf >rotamer1.sdf

     Generate a random rotational isomer of baseconformer.sdf and write it to rotamer1.sdf


SEE ALSO
     babel(1), obenergy(1), obfit(1), obgrep(1), obminimize(1), obrotate(1).

     The web pages for Open Babel can be found at: <http://openbabel.org/>


AUTHORS
     Open Babel is developed by a cast of many, including currrent maintainers Geoff Hutchison, Chris Morley,
     Michael Banck, and innumerable others who have contributed fixes and additions.  For more contributors to
     Open Babel, see <http://openbabel.org/wiki/THANKS>


     Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
     Some portions Copyright (C) 2001-2007 by Geoffrey R. Hutchison and other contributors.

      This program is free software; you can redistribute it and/or modify it under the terms of the GNU General
     Public License as published by the Free Software Foundation version 2 of the License.

      This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the
     implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
     for more details.